#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9i s VAL 17 N 0.00 4.16 0.00 1.39 1.01 0.61 -3.84 120.40 123.72 1g9i s VAL 17 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1g9i s VAL 17 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1g9i s VAL 17 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1g9i n GLY 18 N 4.31 0.75 0.00 4.51 0.00 -1.22 -0.88 105.19 112.66 1g9i n GLY 18 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1g9i n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g9i n GLY 19 N -2.39 0.48 3.30 -0.02 0.00 -1.26 -4.87 105.19 100.43 1g9i n GLY 19 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 1g9i n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1g9i s TYR 20 N 0.72 0.66 -0.17 1.61 1.13 0.11 -4.91 117.35 116.50 1g9i s TYR 20 Ca 0.00 -1.00 -0.29 0.00 -1.41 0.00 0.00 57.07 54.37 1g9i s TYR 20 Cb 0.00 -0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.61 1g9i s TYR 20 CO 0.00 -0.69 1.39 0.99 -2.51 0.00 0.00 175.55 174.73 1g9i s THR 21 N -4.03 4.05 0.21 -3.49 2.01 -1.26 0.49 115.64 113.61 1g9i s THR 21 Ca 0.24 1.25 -0.10 0.00 0.31 0.00 0.00 61.69 63.39 1g9i s THR 21 Cb 0.05 -3.88 0.14 0.00 0.01 0.00 0.00 72.50 68.82 1g9i s THR 21 CO 0.04 -0.19 1.74 0.00 -0.69 0.00 0.00 174.62 175.52 1g9i n GLY 23 N -1.29 2.83 3.69 0.00 0.00 -1.26 -4.78 105.19 104.38 1g9i n GLY 23 Ca 0.09 -1.39 -0.60 0.00 0.00 0.00 0.00 46.02 44.12 1g9i n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g9i n ALA 24 N 1.41 -0.82 -1.57 4.61 0.00 -1.26 -1.84 120.51 121.03 1g9i n ALA 24 Ca 0.00 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.69 1g9i n ALA 24 Cb 0.00 -2.10 -0.08 0.00 0.00 0.00 0.00 19.45 17.27 1g9i n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1g9i n ASN 25 N 4.40 -5.43 -0.00 0.00 4.13 -1.26 -4.86 115.26 112.24 1g9i n ASN 25 Ca 0.26 0.49 0.14 0.00 1.68 0.00 0.00 54.58 57.14 1g9i n ASN 25 Cb 0.09 -4.65 0.58 0.00 -1.54 0.00 0.00 39.78 34.25 1g9i n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1g9i n THR 26 N -2.41 0.00 -3.28 3.41 -2.24 -0.77 -3.79 114.28 105.21 1g9i n THR 26 Ca -0.20 -0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.33 1g9i n THR 26 Cb 0.66 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 1g9i n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1g9i n VAL 27 N -1.50 1.73 0.12 2.28 0.31 -1.26 -4.98 118.33 115.04 1g9i n VAL 27 Ca 0.07 -5.01 0.05 0.00 -0.01 0.00 0.00 64.34 59.44 1g9i n VAL 27 Cb 0.34 -1.84 0.26 0.00 -0.91 0.00 0.00 33.84 31.68 1g9i n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1g9i n PRO 28 N 0.73 0.06 0.00 5.55 -0.04 -1.25 -1.70 135.00 138.36 1g9i n PRO 28 Ca 0.28 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 64.34 1g9i n PRO 28 Cb 0.45 -2.00 0.01 0.00 -0.04 0.00 0.00 33.50 31.92 1g9i n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1g9i n TYR 29 N -1.85 0.00 -2.32 0.54 0.18 -1.09 -1.39 117.16 111.23 1g9i n TYR 29 Ca -0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.35 1g9i n TYR 29 Cb 0.30 -0.05 -0.03 0.00 -0.38 0.00 0.00 39.34 39.18 1g9i n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1g9i s GLN 30 N -2.84 4.32 0.16 -3.48 2.00 -0.69 -0.28 119.66 118.86 1g9i s GLN 30 Ca 0.12 1.85 0.10 0.00 -2.00 0.00 0.00 55.36 55.44 1g9i s GLN 30 Cb 0.17 -3.52 -0.04 0.00 0.80 0.00 0.00 33.01 30.41 1g9i s GLN 30 CO 0.74 -0.49 -0.21 0.14 -0.50 0.00 0.00 175.29 174.97 1g9i s VAL 31 N 2.12 2.56 -0.22 1.34 -7.23 -0.61 -4.38 120.40 113.97 1g9i s VAL 31 Ca 0.61 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 58.92 1g9i s VAL 31 Cb -0.29 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1g9i s VAL 31 CO 0.25 -0.02 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.47 1g9i s SER 32 N -2.44 4.66 -0.42 4.85 0.15 -0.47 -1.75 113.70 118.27 1g9i s SER 32 Ca 0.19 -0.28 -0.26 0.00 0.70 0.00 0.00 55.95 56.30 1g9i s SER 32 Cb -0.09 -1.81 0.02 0.00 -1.71 0.00 0.00 66.02 62.44 1g9i s SER 32 CO 0.10 0.01 0.95 -0.76 1.20 0.00 0.00 173.24 174.74 1g9i s LEU 33 N 1.30 3.96 -0.01 3.45 1.43 -0.47 -1.14 118.68 127.21 1g9i s LEU 33 Ca 0.04 0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 1g9i s LEU 33 Cb -0.15 -3.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 1g9i s LEU 33 CO 0.00 -0.98 -0.18 0.21 0.23 0.00 0.00 176.35 175.63 1g9i s ASN 34 N 2.10 3.78 -0.36 2.29 3.84 0.42 -1.29 114.94 125.73 1g9i s ASN 34 Ca 0.39 -0.33 0.14 0.00 0.21 0.00 0.00 52.86 53.27 1g9i s ASN 34 Cb -0.11 -0.67 0.41 0.00 -0.55 0.00 0.00 41.25 40.33 1g9i s ASN 34 CO 0.23 0.31 1.02 -1.54 -2.79 0.00 0.00 177.10 174.33 1g9i n SER 37 N 2.04 0.25 0.00 -4.21 3.41 -1.26 -0.44 113.62 113.41 1g9i n SER 37 Ca -0.17 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 1g9i n SER 37 Cb 0.52 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1g9i n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g9i n GLY 38 N -0.09 0.75 3.63 5.00 0.00 -1.26 -4.97 105.19 108.24 1g9i n GLY 38 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 1g9i n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1g9i s TYR 39 N -2.49 -0.06 -0.18 1.61 1.13 -1.26 -5.12 117.35 110.97 1g9i s TYR 39 Ca 0.00 0.07 -0.29 0.00 -1.41 0.00 0.00 57.07 55.44 1g9i s TYR 39 Cb 0.00 0.50 -0.00 0.00 -1.10 0.00 0.00 41.96 41.36 1g9i s TYR 39 CO 0.00 -0.08 1.13 -1.58 -2.51 0.00 0.00 175.55 172.51 1g9i s HIS 40 N -1.65 3.17 -0.09 -3.49 5.65 -1.26 -4.25 115.29 113.37 1g9i s HIS 40 Ca 0.09 1.30 0.03 0.00 0.25 0.00 0.00 55.06 56.74 1g9i s HIS 40 Cb -0.01 -3.35 -0.08 0.00 -1.18 0.00 0.00 32.58 27.96 1g9i s HIS 40 CO -0.05 -0.94 -0.04 1.97 -0.65 0.00 0.00 174.74 175.03 1g9i n PHE 41 N 6.22 0.00 -4.18 3.88 1.16 -0.41 -5.02 117.46 119.11 1g9i n PHE 41 Ca 0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.56 1g9i n PHE 41 Cb 0.46 -0.39 -0.08 0.00 -1.61 0.00 0.00 39.48 37.86 1g9i n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1g9i s GLY 43 N -3.23 2.45 0.28 0.00 0.00 0.23 -1.37 107.32 105.68 1g9i s GLY 43 Ca 0.36 -1.58 -0.20 0.00 0.00 0.00 0.00 44.72 43.30 1g9i s GLY 43 CO 0.18 -1.96 0.90 -0.32 0.00 0.00 0.00 173.10 171.90 1g9i s GLY 44 N -4.02 0.18 -0.01 0.20 0.00 -0.72 -3.52 107.32 99.43 1g9i s GLY 44 Ca 0.34 -0.47 -0.01 0.00 0.00 0.00 0.00 44.72 44.58 1g9i s GLY 44 CO 0.19 0.83 0.03 -1.35 0.00 0.00 0.00 173.10 172.80 1g9i s SER 45 N -3.18 -0.01 -0.13 1.64 1.04 -0.20 -1.57 113.70 111.29 1g9i s SER 45 Ca 0.17 0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.41 1g9i s SER 45 Cb -0.04 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1g9i s SER 45 CO 0.08 -0.04 0.85 -0.22 0.98 0.00 0.00 173.24 174.89 1g9i s LEU 46 N 0.28 4.22 -0.02 2.42 2.96 0.61 -0.24 118.68 128.90 1g9i s LEU 46 Ca -0.02 1.27 0.21 0.00 -0.22 0.00 0.00 54.13 55.37 1g9i s LEU 46 Cb -0.03 -3.29 -0.31 0.00 0.50 0.00 0.00 46.19 43.06 1g9i s LEU 46 CO -0.01 -0.36 0.53 2.30 -1.32 0.00 0.00 176.35 177.49 1g9i n ILE 47 N 4.51 0.00 -3.83 6.68 -5.35 -0.68 -0.65 119.36 120.04 1g9i n ILE 47 Ca 0.04 -0.41 -0.06 0.00 -0.27 0.00 0.00 62.75 62.06 1g9i n ILE 47 Cb 0.49 0.17 0.01 0.00 -1.74 0.00 0.00 39.64 38.57 1g9i n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1g9i s ASN 48 N -4.22 -0.05 0.64 7.28 2.20 -1.17 -4.36 114.94 115.26 1g9i s ASN 48 Ca -0.05 -0.80 0.34 0.00 -0.94 0.00 0.00 52.86 51.41 1g9i s ASN 48 Cb 0.14 0.65 1.92 0.00 -2.00 0.00 0.00 41.25 41.96 1g9i s ASN 48 CO 0.88 -1.27 2.15 0.77 -2.94 0.00 0.00 177.10 176.69 1g9i h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.95 -2.97 113.55 118.81 1g9i h SER 49 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1g9i h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1g9i h SER 49 CO 0.35 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.98 1g9i n GLN 50 N -3.33 1.05 -4.22 4.77 7.27 -1.26 -0.13 117.38 121.54 1g9i n GLN 50 Ca -0.01 -0.86 -0.17 0.00 0.07 0.00 0.00 57.00 56.03 1g9i n GLN 50 Cb 0.24 -0.82 -0.15 0.00 2.41 0.00 0.00 30.24 31.93 1g9i n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1g9i s TRP 51 N -0.42 0.58 0.08 3.69 0.52 -1.12 -0.96 118.94 121.30 1g9i s TRP 51 Ca 0.00 -0.11 0.08 0.00 0.02 0.00 0.00 56.10 56.09 1g9i s TRP 51 Cb 0.00 -0.39 -0.03 0.00 -1.15 0.00 0.00 33.47 31.90 1g9i s TRP 51 CO 0.00 -0.02 -0.22 0.08 0.02 0.00 0.00 176.95 176.80 1g9i s VAL 52 N -0.06 1.81 -0.08 4.03 1.01 -0.44 -1.69 120.40 124.98 1g9i s VAL 52 Ca 0.01 -1.41 0.02 0.00 0.00 0.00 0.00 61.98 60.60 1g9i s VAL 52 Cb -0.03 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1g9i s VAL 52 CO -0.00 0.11 -0.15 -0.69 0.00 0.00 0.00 175.10 174.37 1g9i s VAL 53 N -0.96 2.97 0.10 2.92 1.01 0.66 -0.96 120.40 126.14 1g9i s VAL 53 Ca 0.08 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1g9i s VAL 53 Cb -0.10 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1g9i s VAL 53 CO 0.03 0.56 0.16 -0.24 0.00 0.00 0.00 175.10 175.61 1g9i n SER 54 N 2.83 -0.44 -4.82 3.32 2.88 -0.20 -1.03 113.62 116.16 1g9i n SER 54 Ca -0.18 -1.50 -0.37 0.00 -1.33 0.00 0.00 58.87 55.50 1g9i n SER 54 Cb 0.52 0.79 -0.06 0.00 -0.75 0.00 0.00 64.21 64.72 1g9i n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9i s ALA 55 N -1.74 3.55 0.48 -1.46 0.00 -1.26 -0.11 121.76 121.22 1g9i s ALA 55 Ca 0.07 -0.00 0.19 0.00 0.00 0.00 0.00 51.96 52.21 1g9i s ALA 55 Cb -0.01 -2.63 1.25 0.00 0.00 0.00 0.00 23.12 21.73 1g9i s ALA 55 CO 0.05 0.41 2.08 0.00 0.00 0.00 0.00 175.76 178.30 1g9i h ALA 56 N 3.96 1.69 0.00 0.00 0.00 -1.71 -1.58 119.26 121.61 1g9i h ALA 56 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1g9i h ALA 56 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1g9i h ALA 56 CO 0.65 0.13 0.00 -2.39 0.00 0.00 0.00 179.25 177.64 1g9i n HIS 57 N -4.21 0.00 1.00 0.00 1.44 -1.26 -2.63 115.22 109.56 1g9i n HIS 57 Ca -0.03 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.79 1g9i n HIS 57 Cb 0.18 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.22 1g9i n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1g9i n TYR 59 N -1.41 2.41 -3.60 0.00 9.36 -1.08 -4.97 117.16 117.87 1g9i n TYR 59 Ca 0.04 0.48 -0.04 0.00 3.32 0.00 0.00 57.90 61.71 1g9i n TYR 59 Cb 0.34 -2.46 -0.02 0.00 -0.63 0.00 0.00 39.34 36.57 1g9i n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1g9i s LYS 60 N -1.46 0.55 0.67 2.98 -2.85 -1.26 -5.15 119.74 113.22 1g9i s LYS 60 Ca 0.59 -0.24 -0.11 0.00 -1.00 0.00 0.00 55.97 55.20 1g9i s LYS 60 Cb -0.57 0.23 -0.01 0.00 -2.06 0.00 0.00 37.83 35.42 1g9i s LYS 60 CO 0.58 -0.24 1.06 -1.12 0.10 0.00 0.00 175.35 175.73 1g9i s SER 61 N -2.51 5.71 -1.18 0.03 0.01 -1.26 -4.35 113.70 110.15 1g9i s SER 61 Ca 0.10 1.38 -0.07 0.00 1.31 0.00 0.00 55.95 58.67 1g9i s SER 61 Cb 0.00 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 1g9i s SER 61 CO -0.05 -1.20 0.82 0.61 0.41 0.00 0.00 173.24 173.84 1g9i n GLY 62 N -2.60 -0.71 3.72 3.44 0.00 -1.26 -4.96 105.19 102.82 1g9i n GLY 62 Ca 0.07 0.33 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 1g9i n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g9i s ILE 63 N -3.50 5.17 -0.13 -0.61 1.01 -1.26 -4.63 121.20 117.25 1g9i s ILE 63 Ca 0.24 1.01 -0.01 0.00 0.00 0.00 0.00 60.65 61.89 1g9i s ILE 63 Cb -0.06 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 1g9i s ILE 63 CO 0.79 0.32 -0.09 -1.58 0.00 0.00 0.00 174.94 174.38 1g9i s GLN 64 N 0.65 3.38 -0.29 2.79 0.74 0.42 -1.08 119.66 126.26 1g9i s GLN 64 Ca 0.27 -0.61 -0.14 0.00 0.05 0.00 0.00 55.36 54.93 1g9i s GLN 64 Cb -0.15 -2.72 -0.03 0.00 1.10 0.00 0.00 33.01 31.21 1g9i s GLN 64 CO 0.11 0.29 0.31 0.08 -0.55 0.00 0.00 175.29 175.54 1g9i s VAL 65 N 0.17 5.22 -0.38 1.34 1.01 0.33 -0.44 120.40 127.66 1g9i s VAL 65 Ca -0.05 0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1g9i s VAL 65 Cb -0.14 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1g9i s VAL 65 CO 0.04 0.11 0.19 -0.13 0.00 0.00 0.00 175.10 175.32 1g9i s ARG 66 N 1.95 2.71 0.10 2.72 1.81 -0.29 -0.84 118.95 127.11 1g9i s ARG 66 Ca 0.12 -1.20 0.01 0.00 -1.72 0.00 0.00 55.73 52.94 1g9i s ARG 66 Cb -0.16 -3.67 -0.04 0.00 -0.45 0.00 0.00 34.95 30.63 1g9i s ARG 66 CO 0.11 -0.76 0.22 -0.51 -0.68 0.00 0.00 175.30 173.68 1g9i s LEU 67 N 1.48 4.26 -0.25 2.53 1.02 0.34 -1.37 118.68 126.70 1g9i s LEU 67 Ca 0.01 0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.35 1g9i s LEU 67 Cb -0.20 -2.86 0.00 0.00 0.02 0.00 0.00 46.19 43.15 1g9i s LEU 67 CO 0.05 0.13 0.00 0.61 0.02 0.00 0.00 176.35 177.15 1g9i n GLY 69 N -0.01 0.43 3.90 -3.19 0.00 -1.26 -0.50 105.19 104.56 1g9i n GLY 69 Ca -0.06 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1g9i n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g9i s GLU 70 N -3.13 3.67 0.00 1.61 0.41 -1.26 -4.03 118.70 115.97 1g9i s GLU 70 Ca 0.00 0.15 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 1g9i s GLU 70 Cb 0.00 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 1g9i s GLU 70 CO 0.00 0.11 0.00 -3.47 -0.49 0.00 0.00 175.26 171.41 1g9i n ASP 71 N -1.16 0.00 -4.55 -0.19 2.03 -1.26 -4.55 116.55 106.86 1g9i n ASP 71 Ca -0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1g9i n ASP 71 Cb 0.54 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.89 1g9i n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1g9i s ASN 72 N -1.93 6.45 0.29 1.67 3.84 -1.25 -2.80 114.94 121.21 1g9i s ASN 72 Ca 0.00 0.01 0.25 0.00 0.21 0.00 0.00 52.86 53.33 1g9i s ASN 72 Cb 0.00 -2.41 0.94 0.00 -0.55 0.00 0.00 41.25 39.23 1g9i s ASN 72 CO 0.00 -0.94 1.76 0.16 -2.79 0.00 0.00 177.10 175.28 1g9i h ILE 73 N 5.99 0.00 0.03 -5.21 3.07 -1.28 -3.24 117.51 116.88 1g9i h ILE 73 Ca -0.24 -0.38 -0.30 0.00 1.55 0.00 0.00 64.86 65.49 1g9i h ILE 73 Cb 1.08 1.24 -0.04 0.00 -0.27 0.00 0.00 36.82 38.83 1g9i h ILE 73 CO 0.98 0.00 -1.68 0.78 -1.05 0.00 0.00 178.15 177.18 1g9i h ASN 74 N 0.00 0.11 -3.56 2.16 2.35 -1.91 -3.47 115.58 111.25 1g9i h ASN 74 Ca 0.00 -0.21 -0.67 0.00 -0.55 0.00 0.00 56.30 54.87 1g9i h ASN 74 Cb 0.53 -0.03 -0.16 0.00 0.05 0.00 0.00 38.32 38.71 1g9i h ASN 74 CO 0.00 1.19 -0.73 -0.69 -1.65 0.00 0.00 177.43 175.55 1g9i s VAL 75 N -2.60 3.45 -0.28 2.81 1.01 -1.22 -5.09 120.40 118.48 1g9i s VAL 75 Ca -0.08 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.58 1g9i s VAL 75 Cb 0.08 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1g9i s VAL 75 CO 0.82 0.17 0.48 -0.69 0.00 0.00 0.00 175.10 175.88 1g9i s VAL 76 N -1.18 5.09 -0.08 2.92 1.01 -1.26 -4.71 120.40 122.19 1g9i s VAL 76 Ca 0.21 0.73 0.15 0.00 0.00 0.00 0.00 61.98 63.07 1g9i s VAL 76 Cb -0.11 -3.82 0.31 0.00 0.00 0.00 0.00 36.38 32.77 1g9i s VAL 76 CO 0.13 0.06 1.15 -1.84 0.00 0.00 0.00 175.10 174.59 1g9i n GLU 77 N 5.52 0.66 0.00 2.72 0.28 -1.26 -5.12 120.64 123.44 1g9i n GLU 77 Ca -0.05 -2.25 0.00 0.00 -0.16 0.00 0.00 57.16 54.69 1g9i n GLU 77 Cb 0.50 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.56 1g9i n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1g9i n GLY 78 N -0.38 -0.62 2.29 -1.84 0.00 -1.26 -4.96 105.19 98.42 1g9i n GLY 78 Ca 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1g9i n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g9i n ASN 79 N -0.79 0.00 -4.78 1.61 3.02 -1.26 -4.97 115.26 108.08 1g9i n ASN 79 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1g9i n ASN 79 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1g9i n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1g9i s GLU 80 N -0.28 3.26 -0.06 3.52 8.01 -1.26 -4.33 118.70 127.57 1g9i s GLU 80 Ca 0.00 1.43 -0.02 0.00 0.01 0.00 0.00 54.97 56.39 1g9i s GLU 80 Cb 0.00 -2.01 0.03 0.00 -4.31 0.00 0.00 34.13 27.85 1g9i s GLU 80 CO 0.00 -0.89 0.07 -0.65 0.01 0.00 0.00 175.26 173.81 1g9i s GLN 81 N -3.66 -0.06 -0.31 1.61 -0.21 0.35 -4.97 119.66 112.42 1g9i s GLN 81 Ca 0.68 0.36 -0.10 0.00 0.02 0.00 0.00 55.36 56.32 1g9i s GLN 81 Cb -0.20 -0.59 -0.02 0.00 1.00 0.00 0.00 33.01 33.20 1g9i s GLN 81 CO 0.32 -0.36 0.17 -0.06 -2.12 0.00 0.00 175.29 173.24 1g9i s PHE 82 N 2.18 3.19 -0.02 0.91 0.08 -1.26 -0.50 117.98 122.56 1g9i s PHE 82 Ca 0.05 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 56.76 1g9i s PHE 82 Cb -0.12 -2.38 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 1g9i s PHE 82 CO -0.04 -0.38 -0.11 0.42 -0.10 0.00 0.00 175.22 175.01 1g9i s ILE 83 N 1.66 0.91 0.19 0.64 1.01 -0.02 -4.99 121.20 120.60 1g9i s ILE 83 Ca 0.05 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 1g9i s ILE 83 Cb -0.17 -0.77 -0.07 0.00 0.01 0.00 0.00 42.46 41.45 1g9i s ILE 83 CO 0.08 0.26 0.61 -0.44 0.00 0.00 0.00 174.94 175.46 1g9i s SER 84 N -0.14 6.86 0.11 3.58 0.01 -1.26 0.12 113.70 122.98 1g9i s SER 84 Ca 0.02 1.17 -0.31 0.00 1.31 0.00 0.00 55.95 58.14 1g9i s SER 84 Cb -0.06 -2.32 -0.08 0.00 0.21 0.00 0.00 66.02 63.77 1g9i s SER 84 CO -0.00 0.03 1.45 0.00 0.41 0.00 0.00 173.24 175.13 1g9i s ALA 85 N -1.57 3.64 -0.39 1.44 0.00 -0.24 -0.69 121.76 123.94 1g9i s ALA 85 Ca 0.42 1.15 0.23 0.00 0.00 0.00 0.00 51.96 53.76 1g9i s ALA 85 Cb -0.14 -3.57 0.12 0.00 0.00 0.00 0.00 23.12 19.52 1g9i s ALA 85 CO 0.20 -0.72 1.15 1.03 0.00 0.00 0.00 175.76 177.41 1g9i h SER 86 N 7.05 0.00 0.00 0.00 0.87 -0.64 -3.44 113.55 117.38 1g9i h SER 86 Ca -0.42 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1g9i h SER 86 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1g9i h SER 86 CO 0.88 0.04 0.00 2.29 -0.53 0.00 0.00 176.83 179.52 1g9i n LYS 87 N -2.48 0.00 -3.98 2.24 2.85 -1.21 -4.99 118.16 110.60 1g9i n LYS 87 Ca 0.01 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.94 1g9i n LYS 87 Cb 0.51 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.75 1g9i n LYS 87 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1g9i s SER 88 N 0.00 4.69 -0.92 -5.58 0.01 -1.26 -0.99 113.70 109.65 1g9i s SER 88 Ca 0.00 -1.34 -0.17 0.00 1.31 0.00 0.00 55.95 55.75 1g9i s SER 88 Cb 0.00 -1.64 0.17 0.00 0.21 0.00 0.00 66.02 64.76 1g9i s SER 88 CO 0.00 -0.23 1.03 -0.63 0.41 0.00 0.00 173.24 173.82 1g9i s ILE 89 N 1.18 5.07 0.46 1.44 1.01 0.17 -4.93 121.20 125.60 1g9i s ILE 89 Ca -0.07 -1.99 -0.23 0.00 0.00 0.00 0.00 60.65 58.37 1g9i s ILE 89 Cb -0.20 -4.68 -0.08 0.00 0.01 0.00 0.00 42.46 37.52 1g9i s ILE 89 CO -0.03 -1.35 1.13 -0.69 0.00 0.00 0.00 174.94 174.00 1g9i s VAL 90 N 1.68 3.28 0.05 2.92 1.01 -1.26 -1.78 120.40 126.30 1g9i s VAL 90 Ca 0.28 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1g9i s VAL 90 Cb -0.07 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 1g9i s VAL 90 CO -0.09 -0.04 1.76 -2.28 0.00 0.00 0.00 175.10 174.46 1g9i s HIS 91 N -1.62 2.03 0.48 5.22 2.46 -0.90 -4.86 115.29 118.10 1g9i s HIS 91 Ca 0.64 0.05 0.32 0.00 0.47 0.00 0.00 55.06 56.53 1g9i s HIS 91 Cb -0.26 -4.07 1.42 0.00 -0.13 0.00 0.00 32.58 29.54 1g9i s HIS 91 CO 0.31 -4.47 1.71 -1.35 -2.47 0.00 0.00 174.74 168.48 1g9i h PRO 92 N 9.09 0.13 -0.61 2.88 0.11 -1.92 0.14 132.00 141.82 1g9i h PRO 92 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1g9i h PRO 92 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1g9i h PRO 92 CO 0.94 0.08 0.00 0.43 -0.21 0.00 0.00 178.00 179.24 1g9i n SER 93 N -4.41 5.35 -4.77 -2.05 7.64 -1.26 -4.97 113.62 109.14 1g9i n SER 93 Ca 0.31 -2.79 -0.41 0.00 1.01 0.00 0.00 58.87 56.99 1g9i n SER 93 Cb 1.30 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 63.83 1g9i n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1g9i s TYR 94 N -2.51 2.90 -0.18 1.43 5.04 0.50 -4.67 117.35 119.87 1g9i s TYR 94 Ca 0.52 1.36 -0.00 0.00 -2.44 0.00 0.00 57.07 56.50 1g9i s TYR 94 Cb 0.38 -3.76 0.04 0.00 0.35 0.00 0.00 41.96 38.98 1g9i s TYR 94 CO 0.17 -2.16 -0.05 1.21 -1.34 0.00 0.00 175.55 173.38 1g9i s ASN 95 N -0.45 3.00 0.58 4.32 3.84 -0.99 -5.01 114.94 120.23 1g9i s ASN 95 Ca 0.51 -0.75 0.28 0.00 0.21 0.00 0.00 52.86 53.11 1g9i s ASN 95 Cb -0.41 -0.96 1.75 0.00 -0.55 0.00 0.00 41.25 41.08 1g9i s ASN 95 CO 0.55 -0.19 2.24 0.28 -2.79 0.00 0.00 177.10 177.18 1g9i h SER 96 N 8.09 0.00 0.02 -4.21 0.02 -1.94 0.53 113.55 116.05 1g9i h SER 96 Ca -0.24 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1g9i h SER 96 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1g9i h SER 96 CO 0.41 0.01 -0.19 0.78 -1.14 0.00 0.00 176.83 176.69 1g9i h ASN 97 N 0.00 0.06 0.87 3.07 4.21 -1.98 -3.38 115.58 118.43 1g9i h ASN 97 Ca -0.00 -0.96 -0.18 0.00 1.21 0.00 0.00 56.30 56.37 1g9i h ASN 97 Cb 0.02 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 1g9i h ASN 97 CO 0.00 1.08 -1.22 0.71 -1.29 0.00 0.00 177.43 176.71 1g9i h THR 98 N -0.92 0.77 -0.70 2.81 1.35 -1.97 -3.48 112.91 110.77 1g9i h THR 98 Ca -0.04 -2.32 -0.18 0.00 -0.55 0.00 0.00 66.41 63.32 1g9i h THR 98 Cb 1.10 2.27 -0.05 0.00 -1.73 0.00 0.00 68.15 69.74 1g9i h THR 98 CO 0.00 0.44 -0.18 0.18 -0.25 0.00 0.00 175.52 175.71 1g9i n LEU 99 N -3.04 -0.90 -4.76 3.87 4.77 0.18 -4.99 117.00 112.13 1g9i n LEU 99 Ca -0.07 0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 1g9i n LEU 99 Cb 0.86 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.41 1g9i n LEU 99 CO 0.43 -0.33 0.73 0.21 -1.33 0.00 0.00 177.39 177.10 1g9i s ASN 100 N -2.80 7.31 -0.96 -1.43 3.04 -1.23 -3.13 114.94 115.74 1g9i s ASN 100 Ca 0.00 2.11 -0.02 0.00 0.04 0.00 0.00 52.86 54.99 1g9i s ASN 100 Cb 0.00 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 37.10 1g9i s ASN 100 CO 0.00 -0.10 0.26 0.59 -3.04 0.00 0.00 177.10 174.81 1g9i n ASN 101 N 1.04 -4.15 -4.58 -4.21 3.02 -1.26 -2.34 115.26 102.78 1g9i n ASN 101 Ca -0.00 -0.12 -0.36 0.00 -0.03 0.00 0.00 54.58 54.06 1g9i n ASN 101 Cb 0.47 -3.12 -0.03 0.00 -0.61 0.00 0.00 39.78 36.48 1g9i n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1g9i s ASP 102 N -2.72 6.02 -0.20 6.41 2.15 -1.18 -4.37 116.67 122.78 1g9i s ASP 102 Ca 0.13 -2.05 -0.15 0.00 0.43 0.00 0.00 52.55 50.91 1g9i s ASP 102 Cb -0.06 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.04 1g9i s ASP 102 CO 0.16 -2.03 0.51 -0.51 -0.17 0.00 0.00 175.17 173.13 1g9i s ILE 103 N 7.26 -0.01 0.01 4.11 2.07 -1.26 -4.05 121.20 129.33 1g9i s ILE 103 Ca 0.60 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.87 1g9i s ILE 103 Cb 0.02 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.87 1g9i s ILE 103 CO 0.09 0.01 -0.03 -0.32 -1.91 0.00 0.00 174.94 172.78 1g9i s MET 104 N 0.73 0.25 -0.08 3.50 -2.45 0.84 -2.12 119.30 119.96 1g9i s MET 104 Ca -0.04 -0.26 -0.01 0.00 -1.25 0.00 0.00 55.69 54.14 1g9i s MET 104 Cb -0.05 -0.14 -0.03 0.00 1.25 0.00 0.00 34.83 35.86 1g9i s MET 104 CO -0.05 0.03 -0.02 -0.51 1.05 0.00 0.00 175.02 175.52 1g9i s LEU 105 N -0.49 3.48 -0.18 4.11 1.43 -0.73 -1.03 118.68 125.26 1g9i s LEU 105 Ca -0.03 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1g9i s LEU 105 Cb -0.04 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.43 1g9i s LEU 105 CO -0.00 0.37 -0.09 -0.63 0.23 0.00 0.00 176.35 176.23 1g9i s ILE 106 N -0.87 1.50 0.06 -0.59 1.01 -0.13 0.41 121.20 122.59 1g9i s ILE 106 Ca 0.13 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 1g9i s ILE 106 Cb -0.11 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1g9i s ILE 106 CO 0.02 0.19 0.91 -0.75 0.00 0.00 0.00 174.94 175.32 1g9i s LYS 107 N 1.47 4.61 0.28 2.79 2.47 -0.16 -1.33 119.74 129.87 1g9i s LYS 107 Ca -0.00 1.34 -0.22 0.00 -1.56 0.00 0.00 55.97 55.53 1g9i s LYS 107 Cb -0.16 -3.40 -0.09 0.00 -1.46 0.00 0.00 37.83 32.72 1g9i s LYS 107 CO -0.08 0.15 0.82 -0.51 0.16 0.00 0.00 175.35 175.89 1g9i s LEU 108 N 0.29 4.29 0.32 5.43 1.43 -0.13 0.04 118.68 130.34 1g9i s LEU 108 Ca 0.46 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1g9i s LEU 108 Cb -0.22 -3.85 0.52 0.00 0.03 0.00 0.00 46.19 42.67 1g9i s LEU 108 CO 0.27 -0.05 1.95 0.50 0.23 0.00 0.00 176.35 179.25 1g9i h LYS 109 N 3.11 0.91 -4.02 1.70 3.64 -1.20 -3.42 116.57 117.29 1g9i h LYS 109 Ca -0.48 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 58.66 1g9i h LYS 109 Cb 1.19 -0.19 -0.20 0.00 -0.41 0.00 0.00 32.23 32.62 1g9i h LYS 109 CO 0.65 0.65 -0.69 -1.54 -2.27 0.00 0.00 179.45 176.25 1g9i s SER 110 N -6.45 0.29 0.39 4.20 1.04 -1.26 -4.99 113.70 106.92 1g9i s SER 110 Ca -0.10 -0.60 -0.26 0.00 0.48 0.00 0.00 55.95 55.46 1g9i s SER 110 Cb 0.17 0.13 -0.09 0.00 0.10 0.00 0.00 66.02 66.33 1g9i s SER 110 CO 0.78 -0.37 1.28 0.00 0.98 0.00 0.00 173.24 175.91 1g9i s ALA 111 N -2.02 3.29 0.51 5.32 0.00 -1.26 -4.87 121.76 122.72 1g9i s ALA 111 Ca -0.11 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 1g9i s ALA 111 Cb -0.06 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1g9i s ALA 111 CO -0.03 -0.74 0.96 0.00 0.00 0.00 0.00 175.76 175.96 1g9i s ALA 112 N -1.26 3.10 -0.32 0.00 0.00 0.81 -5.00 121.76 119.10 1g9i s ALA 112 Ca 0.55 0.12 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 1g9i s ALA 112 Cb -0.37 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1g9i s ALA 112 CO 0.48 -0.24 0.76 -1.54 0.00 0.00 0.00 175.76 175.22 1g9i s SER 113 N -3.15 6.61 0.02 0.00 1.04 -1.26 -4.87 113.70 112.10 1g9i s SER 113 Ca 0.58 0.56 -0.20 0.00 0.48 0.00 0.00 55.95 57.36 1g9i s SER 113 Cb -0.10 -2.39 -0.06 0.00 0.10 0.00 0.00 66.02 63.57 1g9i s SER 113 CO 0.33 -0.62 0.60 -0.76 0.98 0.00 0.00 173.24 173.77 1g9i s LEU 114 N 2.93 4.46 0.00 2.42 1.43 -1.26 -4.73 118.68 123.92 1g9i s LEU 114 Ca 0.31 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1g9i s LEU 114 Cb -0.14 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1g9i s LEU 114 CO 0.13 0.15 0.00 -0.46 0.23 0.00 0.00 176.35 176.40 1g9i n ASN 115 N 2.41 0.00 0.26 2.29 0.23 0.03 -4.96 115.26 115.52 1g9i n ASN 115 Ca -0.08 -0.91 0.08 0.00 -0.53 0.00 0.00 54.58 53.15 1g9i n ASN 115 Cb 0.51 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.86 1g9i n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1g9i h SER 116 N 0.00 0.00 1.04 0.53 4.64 -2.00 -2.57 113.55 115.19 1g9i h SER 116 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1g9i h SER 116 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1g9i h SER 116 CO 0.00 0.01 -1.00 0.03 -0.87 0.00 0.00 176.83 175.00 1g9i h ARG 117 N 0.00 0.00 -3.60 4.77 -0.00 -1.94 -3.44 114.38 110.16 1g9i h ARG 117 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 58.92 1g9i h ARG 117 Cb 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 29.58 1g9i h ARG 117 CO 0.00 0.13 -0.76 0.08 0.00 0.00 0.00 179.97 179.42 1g9i s VAL 118 N -3.18 0.76 0.04 2.04 1.01 -0.97 -4.51 120.40 115.60 1g9i s VAL 118 Ca -0.00 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1g9i s VAL 118 Cb 0.09 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1g9i s VAL 118 CO 0.78 -0.43 -0.06 0.00 0.00 0.00 0.00 175.10 175.39 1g9i s ALA 119 N 1.71 0.50 0.60 5.51 0.00 -0.49 -0.79 121.76 128.80 1g9i s ALA 119 Ca 0.04 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 1g9i s ALA 119 Cb -0.17 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1g9i s ALA 119 CO -0.17 -0.10 0.97 -1.54 0.00 0.00 0.00 175.76 174.93 1g9i s SER 120 N -1.78 6.11 0.11 0.00 1.04 -1.26 -2.68 113.70 115.24 1g9i s SER 120 Ca -0.08 1.23 0.06 0.00 0.48 0.00 0.00 55.95 57.64 1g9i s SER 120 Cb -0.07 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1g9i s SER 120 CO -0.01 -0.87 -0.04 -0.51 0.98 0.00 0.00 173.24 172.79 1g9i s ILE 121 N -3.09 3.69 0.20 -1.02 1.10 0.18 -4.87 121.20 117.40 1g9i s ILE 121 Ca 0.53 -1.18 -0.27 0.00 -0.51 0.00 0.00 60.65 59.23 1g9i s ILE 121 Cb -0.11 -2.76 -0.08 0.00 0.15 0.00 0.00 42.46 39.65 1g9i s ILE 121 CO 0.51 0.08 0.83 -0.44 -2.11 0.00 0.00 174.94 173.81 1g9i s SER 122 N -2.37 7.46 0.17 4.50 0.01 -1.26 -4.54 113.70 117.68 1g9i s SER 122 Ca 0.24 1.74 -0.30 0.00 1.31 0.00 0.00 55.95 58.94 1g9i s SER 122 Cb -0.11 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 1g9i s SER 122 CO 0.16 0.17 1.02 -0.76 0.41 0.00 0.00 173.24 174.24 1g9i s LEU 123 N -1.25 4.53 0.79 2.44 1.02 -1.26 -0.21 118.68 124.74 1g9i s LEU 123 Ca 0.38 1.96 -0.12 0.00 0.02 0.00 0.00 54.13 56.38 1g9i s LEU 123 Cb -0.23 -3.60 0.07 0.00 0.02 0.00 0.00 46.19 42.44 1g9i s LEU 123 CO 0.28 -0.08 1.13 -2.16 0.02 0.00 0.00 176.35 175.53 1g9i s PRO 124 N -0.45 1.96 -0.12 1.29 0.04 -1.26 -4.83 135.00 131.63 1g9i s PRO 124 Ca 0.47 1.42 0.18 0.00 0.04 0.00 0.00 61.00 63.10 1g9i s PRO 124 Cb -0.27 -1.85 -0.25 0.00 0.04 0.00 0.00 34.50 32.18 1g9i s PRO 124 CO 0.33 -1.90 0.29 0.25 0.04 0.00 0.00 177.00 176.01 1g9i n THR 125 N -3.41 1.13 -4.07 1.26 -2.24 -1.26 -4.96 114.28 100.74 1g9i n THR 125 Ca 0.11 -0.77 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 1g9i n THR 125 Cb 0.52 -0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 68.20 1g9i n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1g9i s SER 127 N -5.40 0.11 0.54 3.42 1.04 -1.26 -5.12 113.70 107.03 1g9i s SER 127 Ca -0.08 -1.08 -0.16 0.00 0.48 0.00 0.00 55.95 55.10 1g9i s SER 127 Cb 0.08 0.41 -0.06 0.00 0.10 0.00 0.00 66.02 66.55 1g9i s SER 127 CO 0.84 -0.88 1.01 0.00 0.98 0.00 0.00 173.24 175.19 1g9i s ALA 129 N -2.58 3.22 0.20 0.00 0.00 -1.26 -5.09 121.76 116.25 1g9i s ALA 129 Ca 0.60 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1g9i s ALA 129 Cb -0.12 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1g9i s ALA 129 CO 0.34 -0.74 0.30 -1.12 0.00 0.00 0.00 175.76 174.53 1g9i s SER 130 N -4.25 6.20 0.48 0.00 0.01 -1.26 -5.05 113.70 109.83 1g9i s SER 130 Ca 0.53 0.07 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 1g9i s SER 130 Cb -0.11 -1.81 -0.08 0.00 0.21 0.00 0.00 66.02 64.24 1g9i s SER 130 CO 0.48 -0.01 1.30 0.00 0.41 0.00 0.00 173.24 175.42 1g9i n ALA 132 N -0.96 1.42 0.00 1.44 0.00 -1.26 -1.97 120.51 119.18 1g9i n ALA 132 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1g9i n ALA 132 Cb 0.56 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1g9i n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9i n GLY 133 N 0.79 3.28 3.70 0.00 0.00 0.13 -4.93 105.19 108.16 1g9i n GLY 133 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1g9i n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g9i s THR 134 N -2.42 2.32 0.04 2.61 2.01 -0.83 -4.65 115.64 114.71 1g9i s THR 134 Ca 0.00 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1g9i s THR 134 Cb 0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1g9i s THR 134 CO 0.00 0.00 0.96 -1.58 -0.69 0.00 0.00 174.62 173.31 1g9i s GLN 135 N 2.00 4.61 0.21 4.92 2.00 -1.26 -1.42 119.66 130.72 1g9i s GLN 135 Ca 0.78 1.41 0.05 0.00 -2.00 0.00 0.00 55.36 55.59 1g9i s GLN 135 Cb -0.47 -3.42 -0.05 0.00 0.80 0.00 0.00 33.01 29.86 1g9i s GLN 135 CO 0.34 0.07 -0.06 0.00 -0.50 0.00 0.00 175.29 175.14 1g9i s LEU 137 N -3.29 2.71 -0.11 0.00 2.96 0.69 -0.61 118.68 121.03 1g9i s LEU 137 Ca 0.25 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1g9i s LEU 137 Cb 0.04 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 1g9i s LEU 137 CO 0.07 -0.00 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.38 1g9i s ILE 138 N 1.37 3.49 0.12 6.68 1.01 0.94 -1.60 121.20 133.21 1g9i s ILE 138 Ca 0.05 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1g9i s ILE 138 Cb -0.14 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1g9i s ILE 138 CO -0.05 0.54 -0.06 -0.94 0.00 0.00 0.00 174.94 174.43 1g9i s SER 139 N -0.10 1.28 0.00 3.58 1.04 -1.23 0.29 113.70 118.56 1g9i s SER 139 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1g9i s SER 139 Cb -0.13 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1g9i s SER 139 CO 0.03 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1g9i n GLY 140 N -0.10 2.24 1.93 7.32 0.00 -0.11 -4.48 105.19 111.99 1g9i n GLY 140 Ca -0.11 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 44.95 1g9i n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1g9i n TRP 141 N -0.87 2.22 -1.41 1.61 8.01 -1.26 -2.17 117.44 123.58 1g9i n TRP 141 Ca 0.00 -0.90 -0.29 0.00 -1.31 0.00 0.00 57.50 54.99 1g9i n TRP 141 Cb 0.00 -0.58 0.18 0.00 -2.01 0.00 0.00 31.31 28.90 1g9i n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1g9i s GLY 142 N -0.85 1.61 0.14 6.99 0.00 -1.26 -4.42 107.32 109.53 1g9i s GLY 142 Ca 0.54 -0.73 -0.34 0.00 0.00 0.00 0.00 44.72 44.19 1g9i s GLY 142 CO 0.15 -0.03 1.23 -2.01 0.00 0.00 0.00 173.10 172.43 1g9i n ASN 143 N -4.13 1.45 -0.83 1.64 5.15 0.13 -2.19 115.26 116.47 1g9i n ASN 143 Ca 0.09 1.13 0.12 0.00 -0.60 0.00 0.00 54.58 55.33 1g9i n ASN 143 Cb 0.59 -1.20 0.18 0.00 -0.53 0.00 0.00 39.78 38.82 1g9i n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1g9i n THR 144 N 1.88 0.00 -4.82 -0.44 -2.24 0.34 -0.94 114.28 108.05 1g9i n THR 144 Ca 0.16 -0.43 -0.27 0.00 -2.27 0.00 0.00 64.05 61.24 1g9i n THR 144 Cb 0.22 1.28 -0.16 0.00 -2.10 0.00 0.00 70.33 69.57 1g9i n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1g9i s LYS 145 N -2.03 2.01 0.02 -0.78 -0.14 -1.26 -4.42 119.74 113.14 1g9i s LYS 145 Ca 0.29 -0.59 -0.22 0.00 -1.36 0.00 0.00 55.97 54.09 1g9i s LYS 145 Cb 0.20 -1.65 -0.17 0.00 -1.68 0.00 0.00 37.83 34.53 1g9i s LYS 145 CO 0.32 0.15 1.31 0.66 -0.76 0.00 0.00 175.35 177.04 1g9i h SER 146 N 6.61 0.24 -3.64 2.83 4.64 -1.90 -3.38 113.55 118.94 1g9i h SER 146 Ca -0.29 -0.48 -0.78 0.00 -0.47 0.00 0.00 61.79 59.76 1g9i h SER 146 Cb 1.19 -0.07 -0.29 0.00 -0.31 0.00 0.00 62.40 62.93 1g9i h SER 146 CO 0.47 0.67 0.26 -0.44 -0.87 0.00 0.00 176.83 176.93 1g9i s SER 147 N -5.97 6.95 0.00 4.97 0.01 -1.26 -4.75 113.70 113.65 1g9i s SER 147 Ca -0.15 -3.34 0.00 0.00 1.31 0.00 0.00 55.95 53.78 1g9i s SER 147 Cb 0.04 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1g9i s SER 147 CO 0.72 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.63 1g9i n GLY 148 N 3.04 0.64 2.66 3.44 0.00 -1.26 -5.05 105.19 108.67 1g9i n GLY 148 Ca 0.20 -2.10 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 1g9i n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g9i s THR 149 N -1.07 0.31 -0.19 2.61 -4.23 -1.26 -4.69 115.64 107.13 1g9i s THR 149 Ca 0.00 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1g9i s THR 149 Cb 0.00 -1.02 0.04 0.00 1.34 0.00 0.00 72.50 72.86 1g9i s THR 149 CO 0.00 -0.42 -0.07 -0.44 -0.54 0.00 0.00 174.62 173.15 1g9i s SER 150 N 1.93 3.15 -0.10 3.99 0.01 -1.26 -5.02 113.70 116.41 1g9i s SER 150 Ca 0.04 -0.81 -0.05 0.00 1.31 0.00 0.00 55.95 56.44 1g9i s SER 150 Cb -0.17 -1.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 1g9i s SER 150 CO -0.17 -0.18 0.09 -0.31 0.41 0.00 0.00 173.24 173.08 1g9i s TYR 151 N 1.52 3.42 0.36 2.43 2.02 -1.26 -0.51 117.35 125.35 1g9i s TYR 151 Ca -0.01 0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 57.02 1g9i s TYR 151 Cb -0.16 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 1g9i s TYR 151 CO -0.08 0.63 0.66 -1.25 -1.57 0.00 0.00 175.55 173.95 1g9i s PRO 152 N -1.05 3.65 -0.03 -1.71 0.04 -1.26 -4.98 135.00 129.66 1g9i s PRO 152 Ca 0.15 0.16 -0.06 0.00 0.04 0.00 0.00 61.00 61.30 1g9i s PRO 152 Cb -0.12 -2.52 -0.29 0.00 0.04 0.00 0.00 34.50 31.62 1g9i s PRO 152 CO 0.04 0.06 0.74 -0.44 0.04 0.00 0.00 177.00 177.44 1g9i h ASP 153 N 1.22 0.47 -2.31 6.66 5.19 -1.94 -3.47 116.42 122.25 1g9i h ASP 153 Ca -0.48 -0.71 -0.46 0.00 -0.62 0.00 0.00 57.03 54.77 1g9i h ASP 153 Cb 1.19 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 1g9i h ASP 153 CO 0.64 1.60 -0.37 0.68 -3.12 0.00 0.00 179.24 178.67 1g9i s VAL 154 N -2.60 5.13 0.13 -1.35 -7.23 -1.25 -0.74 120.40 112.50 1g9i s VAL 154 Ca -0.13 -0.87 -0.31 0.00 -1.81 0.00 0.00 61.98 58.86 1g9i s VAL 154 Cb 0.06 -3.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.09 1g9i s VAL 154 CO 0.85 -0.37 1.44 -0.22 -0.31 0.00 0.00 175.10 176.49 1g9i s LEU 155 N -4.07 4.37 0.06 1.32 2.96 -1.12 -4.79 118.68 117.41 1g9i s LEU 155 Ca 0.36 2.42 0.02 0.00 -0.22 0.00 0.00 54.13 56.71 1g9i s LEU 155 Cb -0.09 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1g9i s LEU 155 CO 0.31 -0.70 0.10 -0.54 -1.32 0.00 0.00 176.35 174.20 1g9i s LYS 156 N 1.08 3.02 0.11 1.98 -0.14 -0.92 -1.91 119.74 122.95 1g9i s LYS 156 Ca 0.66 -0.61 0.08 0.00 -1.36 0.00 0.00 55.97 54.74 1g9i s LYS 156 Cb -0.39 -2.81 -0.04 0.00 -1.68 0.00 0.00 37.83 32.92 1g9i s LYS 156 CO 0.31 0.59 -0.20 0.00 -0.76 0.00 0.00 175.35 175.28 1g9i s LEU 158 N -1.98 1.05 -0.26 0.00 2.96 0.14 0.08 118.68 120.68 1g9i s LEU 158 Ca 0.07 0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 54.31 1g9i s LEU 158 Cb -0.09 0.71 -0.04 0.00 0.50 0.00 0.00 46.19 47.26 1g9i s LEU 158 CO 0.04 -0.09 0.15 -0.75 -1.32 0.00 0.00 176.35 174.38 1g9i s LYS 159 N 0.33 3.92 -0.06 1.98 2.47 -1.26 -0.04 119.74 127.09 1g9i s LYS 159 Ca -0.02 -0.34 -0.07 0.00 -1.56 0.00 0.00 55.97 53.98 1g9i s LYS 159 Cb -0.03 -3.52 0.02 0.00 -1.46 0.00 0.00 37.83 32.83 1g9i s LYS 159 CO -0.01 -0.08 0.19 0.00 0.16 0.00 0.00 175.35 175.61 1g9i s ALA 160 N 1.44 -0.48 0.28 3.13 0.00 0.22 -4.93 121.76 121.42 1g9i s ALA 160 Ca 0.07 0.41 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 1g9i s ALA 160 Cb -0.15 -0.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 1g9i s ALA 160 CO 0.07 -0.13 0.68 -1.25 0.00 0.00 0.00 175.76 175.13 1g9i s PRO 161 N -0.26 3.98 0.06 0.00 0.04 -1.26 -0.63 135.00 136.93 1g9i s PRO 161 Ca -0.04 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.29 1g9i s PRO 161 Cb -0.03 -2.57 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 1g9i s PRO 161 CO 0.01 0.25 1.21 0.42 0.04 0.00 0.00 177.00 178.92 1g9i s ILE 162 N -1.85 4.02 0.61 0.56 1.01 -0.51 -1.65 121.20 123.39 1g9i s ILE 162 Ca 0.50 1.44 -0.08 0.00 0.00 0.00 0.00 60.65 62.51 1g9i s ILE 162 Cb -0.12 -3.93 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 1g9i s ILE 162 CO 0.19 0.10 0.96 -0.76 0.00 0.00 0.00 174.94 175.43 1g9i s LEU 163 N 1.14 3.18 0.18 2.97 1.02 0.46 0.19 118.68 127.84 1g9i s LEU 163 Ca 0.59 0.95 -0.30 0.00 0.02 0.00 0.00 54.13 55.39 1g9i s LEU 163 Cb -0.29 -3.81 -0.08 0.00 0.02 0.00 0.00 46.19 42.03 1g9i s LEU 163 CO 0.29 -1.06 1.08 -0.94 0.02 0.00 0.00 176.35 175.73 1g9i s SER 164 N -4.28 7.31 0.54 2.29 1.04 -1.26 -4.61 113.70 114.72 1g9i s SER 164 Ca 0.54 2.07 0.34 0.00 0.48 0.00 0.00 55.95 59.39 1g9i s SER 164 Cb -0.11 -2.60 1.51 0.00 0.10 0.00 0.00 66.02 64.92 1g9i s SER 164 CO 0.48 -0.18 1.83 0.44 0.98 0.00 0.00 173.24 176.79 1g9i h ASP 165 N 4.98 0.02 -0.24 7.02 5.19 -1.96 0.88 116.42 132.32 1g9i h ASP 165 Ca -0.44 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.90 1g9i h ASP 165 Cb 1.21 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 1g9i h ASP 165 CO 0.72 0.00 -0.14 0.77 -3.12 0.00 0.00 179.24 177.47 1g9i h SER 166 N 0.02 0.53 0.26 6.45 4.64 -1.98 -0.16 113.55 123.31 1g9i h SER 166 Ca 0.53 -0.43 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 1g9i h SER 166 Cb 2.07 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 64.00 1g9i h SER 166 CO -0.02 0.84 -0.33 0.28 -0.87 0.00 0.00 176.83 176.74 1g9i h SER 167 N 0.22 0.12 0.55 4.97 0.02 -1.25 -0.11 113.55 118.07 1g9i h SER 167 Ca 0.05 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1g9i h SER 167 Cb 0.66 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.17 1g9i h SER 167 CO 0.04 0.45 -0.27 0.00 -1.14 0.00 0.00 176.83 175.91 1g9i h LYS 169 N -1.13 0.00 -0.01 0.00 1.57 -1.00 -1.03 116.57 114.97 1g9i h LYS 169 Ca -0.08 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.49 1g9i h LYS 169 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1g9i h LYS 169 CO 0.12 0.03 -0.91 0.66 -0.57 0.00 0.00 179.45 178.79 1g9i h SER 170 N 0.00 0.47 -0.27 0.86 4.64 -1.01 -2.37 113.55 115.87 1g9i h SER 170 Ca -0.00 -0.37 -0.17 0.00 -0.47 0.00 0.00 61.79 60.78 1g9i h SER 170 Cb 0.19 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1g9i h SER 170 CO 0.00 1.16 -0.47 0.00 -0.87 0.00 0.00 176.83 176.66 1g9i h ALA 171 N 0.81 0.57 -2.22 5.18 0.00 -0.86 -3.34 119.26 119.40 1g9i h ALA 171 Ca -0.07 -0.48 -0.59 0.00 0.00 0.00 0.00 54.91 53.77 1g9i h ALA 171 Cb 1.54 -0.10 -0.42 0.00 0.00 0.00 0.00 17.79 18.81 1g9i h ALA 171 CO 0.15 0.68 -0.64 0.66 0.00 0.00 0.00 179.25 180.10 1g9i n TYR 172 N -4.02 3.59 -1.61 0.00 4.01 -0.65 -4.99 117.16 113.49 1g9i n TYR 172 Ca -0.03 -4.07 -0.57 0.00 -0.16 0.00 0.00 57.90 53.08 1g9i n TYR 172 Cb 0.58 -0.52 -0.08 0.00 -0.31 0.00 0.00 39.34 39.01 1g9i n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1g9i n PRO 173 N 0.41 0.97 -0.66 -0.72 -0.02 -0.89 -1.20 135.00 132.88 1g9i n PRO 173 Ca 0.30 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1g9i n PRO 173 Cb 0.41 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1g9i n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g9i n GLY 174 N 5.05 1.01 0.01 -1.23 0.00 -1.26 -4.81 105.19 103.96 1g9i n GLY 174 Ca 0.33 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.45 1g9i n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g9i n GLN 175 N -2.00 0.15 -3.38 1.61 6.02 -0.34 -4.89 117.38 114.53 1g9i n GLN 175 Ca 0.00 -0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.56 1g9i n GLN 175 Cb 0.00 -1.52 -0.09 0.00 1.02 0.00 0.00 30.24 29.65 1g9i n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g9i s ILE 176 N -3.11 5.17 0.54 5.09 -1.09 -1.22 -5.03 121.20 121.55 1g9i s ILE 176 Ca 0.05 0.51 0.07 0.00 -2.23 0.00 0.00 60.65 59.05 1g9i s ILE 176 Cb 0.16 -3.72 0.06 0.00 -1.58 0.00 0.00 42.46 37.38 1g9i s ILE 176 CO 0.85 0.12 0.74 0.42 -1.23 0.00 0.00 174.94 175.84 1g9i s THR 177 N 2.08 2.48 -1.33 2.92 -4.23 -1.26 -4.97 115.64 111.32 1g9i s THR 177 Ca 0.15 -0.91 0.13 0.00 -1.18 0.00 0.00 61.69 59.88 1g9i s THR 177 Cb -0.16 -2.56 0.21 0.00 1.34 0.00 0.00 72.50 71.33 1g9i s THR 177 CO 0.10 0.00 1.37 -1.54 -0.54 0.00 0.00 174.62 174.01 1g9i n SER 178 N -2.20 0.00 -1.43 3.99 3.41 -1.26 -1.80 113.62 114.33 1g9i n SER 178 Ca 0.12 0.19 0.08 0.00 -0.26 0.00 0.00 58.87 59.00 1g9i n SER 178 Cb 0.60 -0.34 0.33 0.00 -0.26 0.00 0.00 64.21 64.55 1g9i n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1g9i n ASN 179 N -1.34 4.75 -4.18 4.04 4.13 -1.26 -4.91 115.26 116.50 1g9i n ASN 179 Ca 0.06 -2.76 -0.17 0.00 1.68 0.00 0.00 54.58 53.38 1g9i n ASN 179 Cb 0.12 -0.58 -0.12 0.00 -1.54 0.00 0.00 39.78 37.66 1g9i n ASN 179 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1g9i s MET 180 N -2.41 0.83 -0.03 3.52 -1.94 -0.74 -1.12 119.30 117.41 1g9i s MET 180 Ca 0.48 -1.02 -0.14 0.00 -1.71 0.00 0.00 55.69 53.30 1g9i s MET 180 Cb 0.35 -0.75 0.02 0.00 2.01 0.00 0.00 34.83 36.47 1g9i s MET 180 CO 0.16 0.15 0.31 -0.59 -0.01 0.00 0.00 175.02 175.04 1g9i s PHE 181 N -1.63 -0.20 0.09 -0.03 -0.12 -0.54 -4.78 117.98 110.78 1g9i s PHE 181 Ca 0.00 0.34 -0.08 0.00 -0.05 0.00 0.00 56.93 57.14 1g9i s PHE 181 Cb -0.08 0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.35 1g9i s PHE 181 CO 0.02 -0.36 0.39 0.00 -0.05 0.00 0.00 175.22 175.22 1g9i s ALA 183 N -1.47 -0.61 0.00 0.00 0.00 -0.84 -0.40 121.76 118.43 1g9i s ALA 183 Ca 0.35 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1g9i s ALA 183 Cb -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1g9i s ALA 183 CO 0.20 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1g9i n GLY 184 N 2.54 0.60 2.93 0.00 0.00 -0.66 -2.29 105.19 108.32 1g9i n GLY 184 Ca -0.15 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 1g9i n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g9i s TYR 184 N -2.84 0.82 0.10 1.61 1.51 -1.26 -4.37 117.35 112.92 1g9i s TYR 184 Ca 0.00 -0.23 0.26 0.00 -1.01 0.00 0.00 57.07 56.10 1g9i s TYR 184 Cb 0.00 -0.66 1.01 0.00 -0.11 0.00 0.00 41.96 42.19 1g9i s TYR 184 CO 0.00 -0.16 1.86 -0.07 -1.11 0.00 0.00 175.55 176.07 1g9i h LEU 185 N 6.88 0.00 0.00 -1.29 4.07 -1.95 -2.70 115.31 120.32 1g9i h LEU 185 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1g9i h LEU 185 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1g9i h LEU 185 CO 0.48 0.16 -0.06 -1.84 -1.08 0.00 0.00 178.44 176.10 1g9i n GLU 186 N -3.30 0.12 -0.13 1.13 0.00 -1.26 0.66 120.64 117.86 1g9i n GLU 186 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 57.16 57.28 1g9i n GLU 186 Cb 0.40 -1.64 -0.01 0.00 0.00 0.00 0.00 31.44 30.20 1g9i n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1g9i n GLY 187 N 1.41 -2.14 0.00 -1.84 0.00 -1.02 -4.44 105.19 97.17 1g9i n GLY 187 Ca 0.06 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1g9i n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g9i n GLY 188 N -2.58 2.35 2.69 -0.02 0.00 -0.61 -4.96 105.19 102.06 1g9i n GLY 188 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1g9i n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g9i s LYS 188 N -0.57 0.11 -0.03 1.61 1.02 -1.25 -3.39 119.74 117.23 1g9i s LYS 188 Ca 0.00 0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 1g9i s LYS 188 Cb 0.00 -0.71 0.11 0.00 -0.52 0.00 0.00 37.83 36.71 1g9i s LYS 188 CO 0.00 -0.34 1.06 0.34 -0.92 0.00 0.00 175.35 175.49 1g9i s ASP 189 N 2.12 -0.21 0.65 2.83 2.15 -0.06 -4.28 116.67 119.86 1g9i s ASP 189 Ca 0.05 -0.10 -0.09 0.00 0.43 0.00 0.00 52.55 52.84 1g9i s ASP 189 Cb -0.12 0.30 0.01 0.00 -0.30 0.00 0.00 42.92 42.81 1g9i s ASP 189 CO -0.04 -0.51 1.01 -0.94 -0.17 0.00 0.00 175.17 174.52 1g9i s SER 190 N -2.56 5.48 0.19 -0.34 1.04 -1.26 -0.29 113.70 115.96 1g9i s SER 190 Ca 0.09 0.91 -0.04 0.00 0.48 0.00 0.00 55.95 57.40 1g9i s SER 190 Cb -0.00 -1.79 0.02 0.00 0.10 0.00 0.00 66.02 64.34 1g9i s SER 190 CO -0.05 -1.23 0.31 0.00 0.98 0.00 0.00 173.24 173.25 1g9i n GLN 192 N -0.28 1.81 0.00 0.00 3.00 -1.26 -0.86 117.38 119.79 1g9i n GLN 192 Ca -0.02 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.63 1g9i n GLN 192 Cb 0.30 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.18 1g9i n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1g9i n GLY 193 N 2.90 3.04 0.08 1.08 0.00 -1.26 0.17 105.19 111.20 1g9i n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1g9i n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1g9i h ASP 194 N 0.07 0.00 -2.93 1.61 3.32 -1.30 -3.30 116.42 113.89 1g9i h ASP 194 Ca 0.00 -0.15 -0.59 0.00 0.02 0.00 0.00 57.03 56.31 1g9i h ASP 194 Cb 0.00 0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.70 1g9i h ASP 194 CO 0.00 0.08 -0.11 -1.20 -1.72 0.00 0.00 179.24 176.29 1g9i n SER 195 N -2.20 0.14 0.00 6.45 7.64 -1.26 -0.83 113.62 123.56 1g9i n SER 195 Ca 0.04 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1g9i n SER 195 Cb 0.45 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1g9i n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g9i n GLY 196 N 1.48 3.00 3.62 0.23 0.00 0.14 0.75 105.19 114.42 1g9i n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1g9i n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g9i s GLY 197 N -1.19 1.61 0.30 -0.02 0.00 -0.01 -3.22 107.32 104.79 1g9i s GLY 197 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.71 1g9i s GLY 197 CO 0.00 0.65 0.64 2.56 0.00 0.00 0.00 173.10 176.95 1g9i s PRO 198 N -4.68 3.83 -0.27 2.90 0.04 -1.26 -0.84 135.00 134.71 1g9i s PRO 198 Ca 0.66 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1g9i s PRO 198 Cb -0.22 -2.54 0.08 0.00 0.04 0.00 0.00 34.50 31.86 1g9i s PRO 198 CO 0.60 0.19 0.03 0.08 0.04 0.00 0.00 177.00 177.94 1g9i s VAL 199 N -2.01 1.32 -0.17 -0.36 1.01 -0.51 -3.56 120.40 116.13 1g9i s VAL 199 Ca 0.49 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1g9i s VAL 199 Cb -0.11 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1g9i s VAL 199 CO 0.23 -0.40 -0.02 -0.69 0.00 0.00 0.00 175.10 174.22 1g9i s VAL 200 N 1.44 3.99 -0.13 2.92 1.01 -0.63 -0.72 120.40 128.27 1g9i s VAL 200 Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1g9i s VAL 200 Cb -0.18 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.46 1g9i s VAL 200 CO -0.13 0.47 -0.08 0.00 0.00 0.00 0.00 175.10 175.36 1g9i n SER 202 N 4.89 -5.80 -0.20 0.00 7.64 -1.26 -2.07 113.62 116.81 1g9i n SER 202 Ca -0.13 -0.60 -0.03 0.00 1.01 0.00 0.00 58.87 59.12 1g9i n SER 202 Cb 0.49 -4.60 -0.01 0.00 -1.01 0.00 0.00 64.21 59.09 1g9i n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g9i n GLY 203 N -1.85 0.57 3.15 0.23 0.00 -1.26 -5.02 105.19 101.01 1g9i n GLY 203 Ca 0.01 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1g9i n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g9i s LYS 204 N -1.42 1.93 -0.57 1.61 -0.14 -0.88 -3.98 119.74 116.29 1g9i s LYS 204 Ca 0.00 -0.65 -0.27 0.00 -1.36 0.00 0.00 55.97 53.69 1g9i s LYS 204 Cb 0.00 -1.66 -0.01 0.00 -1.68 0.00 0.00 37.83 34.49 1g9i s LYS 204 CO 0.00 0.25 1.68 -1.17 -0.76 0.00 0.00 175.35 175.35 1g9i s LEU 209 N 0.05 3.34 -0.02 3.17 2.96 0.71 -1.06 118.68 127.82 1g9i s LEU 209 Ca -0.05 0.39 0.21 0.00 -0.22 0.00 0.00 54.13 54.47 1g9i s LEU 209 Cb -0.12 -2.81 -0.28 0.00 0.50 0.00 0.00 46.19 43.47 1g9i s LEU 209 CO 0.03 -2.06 0.51 1.67 -1.32 0.00 0.00 176.35 175.19 1g9i n GLN 210 N 8.95 0.66 -3.92 1.98 -0.06 0.10 -4.07 117.38 121.02 1g9i n GLN 210 Ca 0.17 -0.13 -0.09 0.00 -2.00 0.00 0.00 57.00 54.95 1g9i n GLN 210 Cb 0.50 -1.57 -0.07 0.00 -4.06 0.00 0.00 30.24 25.05 1g9i n GLN 210 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1g9i s GLY 211 N -4.61 0.37 -0.12 1.69 0.00 -0.71 -2.75 107.32 101.19 1g9i s GLY 211 Ca -0.07 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1g9i s GLY 211 CO 0.88 -0.79 -0.14 -0.42 0.00 0.00 0.00 173.10 172.64 1g9i s ILE 212 N -3.94 1.43 -0.02 0.90 1.01 -1.07 -1.43 121.20 118.08 1g9i s ILE 212 Ca 0.14 -0.58 -0.33 0.00 0.00 0.00 0.00 60.65 59.88 1g9i s ILE 212 Cb 0.03 -1.34 -0.11 0.00 0.01 0.00 0.00 42.46 41.05 1g9i s ILE 212 CO -0.02 0.43 1.86 0.52 0.00 0.00 0.00 174.94 177.72 1g9i n VAL 213 N 4.46 0.52 0.00 2.92 0.31 -0.02 -1.44 118.33 125.07 1g9i n VAL 213 Ca -0.18 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1g9i n VAL 213 Cb 0.51 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1g9i n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1g9i n SER 214 N 6.30 0.00 -2.71 4.52 2.88 -1.11 -0.68 113.62 122.82 1g9i n SER 214 Ca 0.21 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.63 1g9i n SER 214 Cb 0.32 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 1g9i n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1g9i n TRP 215 N 0.00 0.21 0.00 0.66 4.27 -1.06 -4.83 117.44 116.69 1g9i n TRP 215 Ca 0.00 -1.09 0.00 0.00 -3.89 0.00 0.00 57.50 52.52 1g9i n TRP 215 Cb 0.00 -0.05 0.00 0.00 -1.36 0.00 0.00 31.31 29.90 1g9i n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1g9i n GLY 216 N 1.54 2.03 3.47 -1.67 0.00 -1.26 -0.42 105.19 108.87 1g9i n GLY 216 Ca -0.05 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 1g9i n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g9i s SER 217 N 0.00 6.79 0.00 1.61 0.15 -1.26 -4.88 113.70 116.11 1g9i s SER 217 Ca 0.00 -2.36 0.00 0.00 0.70 0.00 0.00 55.95 54.29 1g9i s SER 217 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1g9i s SER 217 CO 0.00 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.07 1g9i n GLY 219 N 5.09 0.39 3.18 9.45 0.00 -1.26 -4.74 105.19 117.30 1g9i n GLY 219 Ca 0.30 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1g9i n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g9i n ALA 221 N 3.99 -0.96 -2.35 0.00 0.00 -1.26 -4.70 120.51 115.22 1g9i n ALA 221 Ca -0.22 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1g9i n ALA 221 Cb 0.55 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.61 1g9i n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g9i s GLN 221 N -5.64 4.00 0.16 0.00 -1.52 -1.26 -1.58 119.66 113.83 1g9i s GLN 221 Ca 0.25 0.51 -0.31 0.00 -1.95 0.00 0.00 55.36 53.86 1g9i s GLN 221 Cb -0.13 -2.97 -0.11 0.00 -0.22 0.00 0.00 33.01 29.59 1g9i s GLN 221 CO 0.31 0.50 1.72 0.21 -0.25 0.00 0.00 175.29 177.78 1g9i s LYS 222 N -1.86 4.15 -0.11 2.91 2.20 -1.26 -1.96 119.74 123.81 1g9i s LYS 222 Ca 0.37 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.51 1g9i s LYS 222 Cb -0.15 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1g9i s LYS 222 CO 0.19 -0.75 0.00 0.09 -0.36 0.00 0.00 175.35 174.52 1g9i n ASN 223 N 4.66 -4.11 -3.36 1.43 5.03 0.21 -4.94 115.26 114.17 1g9i n ASN 223 Ca 0.16 0.03 -0.26 0.00 0.87 0.00 0.00 54.58 55.37 1g9i n ASN 223 Cb 0.37 -1.70 -0.08 0.00 -1.02 0.00 0.00 39.78 37.35 1g9i n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1g9i n LYS 224 N -1.66 2.08 -0.55 3.52 4.76 -0.83 -4.75 118.16 120.74 1g9i n LYS 224 Ca -0.01 -4.32 -0.28 0.00 -2.87 0.00 0.00 58.31 50.83 1g9i n LYS 224 Cb 0.20 -2.00 0.26 0.00 -1.84 0.00 0.00 35.03 31.65 1g9i n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1g9i s PRO 225 N -2.16 -1.05 0.22 1.97 0.04 -1.26 -4.37 135.00 128.40 1g9i s PRO 225 Ca 0.39 0.80 -0.27 0.00 0.04 0.00 0.00 61.00 61.95 1g9i s PRO 225 Cb 0.15 -1.54 -0.09 0.00 0.04 0.00 0.00 34.50 33.07 1g9i s PRO 225 CO -0.04 -3.80 0.86 0.20 0.04 0.00 0.00 177.00 174.27 1g9i s GLY 226 N -2.52 2.96 -0.14 0.56 0.00 -0.97 -4.55 107.32 102.66 1g9i s GLY 226 Ca 0.69 0.47 -0.07 0.00 0.00 0.00 0.00 44.72 45.81 1g9i s GLY 226 CO 0.65 0.99 0.13 0.14 0.00 0.00 0.00 173.10 175.00 1g9i s VAL 227 N -1.26 5.38 0.12 1.40 1.01 0.43 -1.99 120.40 125.48 1g9i s VAL 227 Ca 0.41 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.60 1g9i s VAL 227 Cb -0.23 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1g9i s VAL 227 CO 0.28 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.52 1g9i s TYR 228 N -0.64 1.25 -0.23 5.22 2.02 0.51 -2.56 117.35 122.92 1g9i s TYR 228 Ca 0.13 -0.62 -0.29 0.00 -0.37 0.00 0.00 57.07 55.92 1g9i s TYR 228 Cb -0.12 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.79 1g9i s TYR 228 CO 0.02 0.08 1.09 0.99 -1.57 0.00 0.00 175.55 176.16 1g9i s THR 229 N -2.43 4.58 -1.13 -0.71 2.01 -0.52 -1.46 115.64 115.98 1g9i s THR 229 Ca 0.09 1.90 -0.22 0.00 0.31 0.00 0.00 61.69 63.77 1g9i s THR 229 Cb -0.03 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1g9i s THR 229 CO 0.02 -0.22 1.81 -0.75 -0.69 0.00 0.00 174.62 174.78 1g9i s LYS 230 N 3.33 3.08 0.48 4.92 2.20 -0.27 -2.60 119.74 130.87 1g9i s LYS 230 Ca 0.46 -1.20 0.24 0.00 -0.36 0.00 0.00 55.97 55.11 1g9i s LYS 230 Cb -0.16 -5.30 1.27 0.00 -1.51 0.00 0.00 37.83 32.13 1g9i s LYS 230 CO 0.09 -3.11 1.89 0.28 -0.36 0.00 0.00 175.35 174.13 1g9i h VAL 231 N 6.34 0.64 -0.21 4.02 2.07 -1.83 -2.03 116.25 125.26 1g9i h VAL 231 Ca 0.25 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.76 1g9i h VAL 231 Cb 0.95 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1g9i h VAL 231 CO 1.32 0.04 0.16 0.00 0.02 0.00 0.00 177.57 179.10 1g9i h ASN 233 N 0.00 0.00 -0.01 0.00 4.21 -1.75 -3.17 115.58 114.85 1g9i h ASN 233 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 1g9i h ASN 233 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1g9i h ASN 233 CO -0.00 0.00 -0.11 -1.22 -1.29 0.00 0.00 177.43 174.81 1g9i n TYR 234 N -2.70 0.00 -0.34 1.19 4.01 0.56 -4.66 117.16 115.22 1g9i n TYR 234 Ca 0.02 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.91 1g9i n TYR 234 Cb 0.33 0.00 0.35 0.00 -0.31 0.00 0.00 39.34 39.70 1g9i n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1g9i h VAL 235 N 2.19 0.58 -0.03 -0.72 2.07 -1.39 0.15 116.25 119.10 1g9i h VAL 235 Ca 0.00 -0.21 -0.23 0.00 0.82 0.00 0.00 66.70 67.08 1g9i h VAL 235 Cb 0.52 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1g9i h VAL 235 CO 0.00 0.11 -0.92 0.77 0.02 0.00 0.00 177.57 177.55 1g9i h SER 236 N 0.61 0.70 0.14 0.57 4.64 -1.84 -2.38 113.55 115.99 1g9i h SER 236 Ca 0.60 -0.53 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1g9i h SER 236 Cb 1.08 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1g9i h SER 236 CO -0.45 1.33 -0.07 -0.25 -0.87 0.00 0.00 176.83 176.52 1g9i h TRP 237 N 0.33 -0.18 -0.20 4.77 7.01 -1.42 -1.65 115.95 124.62 1g9i h TRP 237 Ca -0.08 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 60.97 1g9i h TRP 237 Cb 1.55 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 28.61 1g9i h TRP 237 CO 0.07 -0.03 -0.23 0.82 -2.79 0.00 0.00 178.44 176.28 1g9i h ILE 238 N -0.28 0.42 -0.34 2.65 2.04 -0.83 0.14 117.51 121.31 1g9i h ILE 238 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1g9i h ILE 238 Cb 0.22 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1g9i h ILE 238 CO 0.03 0.00 0.07 0.50 0.00 0.00 0.00 178.15 178.75 1g9i h LYS 239 N -0.26 0.18 -0.21 2.37 1.63 -1.32 -1.14 116.57 117.81 1g9i h LYS 239 Ca 0.12 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.85 1g9i h LYS 239 Cb 0.45 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1g9i h LYS 239 CO -0.35 0.12 -0.12 1.96 -3.45 0.00 0.00 179.45 177.61 1g9i h GLN 240 N 0.19 0.46 0.36 1.90 4.20 -0.93 -1.40 115.11 119.89 1g9i h GLN 240 Ca 0.16 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1g9i h GLN 240 Cb 0.18 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1g9i h GLN 240 CO -0.21 0.75 -0.38 1.15 -0.67 0.00 0.00 178.83 179.47 1g9i h THR 241 N 0.16 0.22 -0.92 -0.54 2.02 -0.56 -1.36 112.91 111.92 1g9i h THR 241 Ca 0.05 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.35 1g9i h THR 241 Cb 0.62 0.22 -0.08 0.00 -1.74 0.00 0.00 68.15 67.17 1g9i h THR 241 CO 0.03 0.00 0.55 0.40 0.37 0.00 0.00 175.52 176.88 1g9i h ILE 242 N -0.78 0.88 0.00 3.11 2.04 -1.25 -0.78 117.51 120.73 1g9i h ILE 242 Ca -0.03 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1g9i h ILE 242 Cb 0.70 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1g9i h ILE 242 CO -0.08 0.16 -0.18 0.00 0.00 0.00 0.00 178.15 178.05 1g9i h ALA 243 N 1.52 1.58 -0.63 1.87 0.00 -0.71 -2.56 119.26 120.32 1g9i h ALA 243 Ca 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1g9i h ALA 243 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1g9i h ALA 243 CO -0.28 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 1g9i n SER 244 N -4.14 3.70 0.00 0.00 3.41 -0.33 -5.08 113.62 111.19 1g9i n SER 244 Ca -0.02 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1g9i n SER 244 Cb 0.25 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1g9i n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47